4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride
Basic information
- CAS
5505-03-3- Standard SMILES
C[NH+](C)CCCC(O)(CCC[NH+](C)C)c1ccccc1CCc1ccccc1.[Cl-].[Cl-]- InChIKey
NCFDBRPIBQCHAV-UHFFFAOYSA-N- Molecular formula
- C25H40Cl2N2O
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 454.2517693
Names & identifiers
- Preferred name
- 4-Heptanol, 1,7-bis(dimethylamino)-4-(o-phenethylphenyl)-, dihydrochloride
- IUPAC
- [7-(dimethylazaniumyl)-4-hydroxy-4-[2-(2-phenylethyl)phenyl]heptyl]-dimethylazanium dichloride
Names & synonyms
4-HEPTANOL, 1,7-BIS(DIMETHYLAMINO)-4-(o-PHENETHYLPHENYL)-, DIHYDROCHLORIDE1,7-Bis(dimethylamino)-4-(2-(2-phenylethyl)phenyl)heptan-4-ol dihydrochloride5505-03-3RefChem:292987
Database identifiers
- CAS
5505-03-3- PubChem CID
- 21678
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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